N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C14H18F3N3O3 — CID 2079895

IUPACN-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1C=C(C=CC1=O)C(F)(F)F
InChIInChI=1S/C14H18F3N3O3/c1-9(2)5-6-18-13(23)19-11(21)8-20-7-10(14(15,16)17)3-4-12(20)22/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,19,21,23)
InChIKeyUVZYENPPAIAGFA-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.00
Rot. Bonds5

About N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2079895) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2079895
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC NameN-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1C=C(C=CC1=O)C(F)(F)F
InChIInChI=1S/C14H18F3N3O3/c1-9(2)5-6-18-13(23)19-11(21)8-20-7-10(14(15,16)17)3-4-12(20)22/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,19,21,23)
InChIKeyUVZYENPPAIAGFA-UHFFFAOYSA-N
XLogP2.00
TPSA78.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity539

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 2121670
N-(tert-butylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2122848
N-(ethylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2633446
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
N-(cyclopentylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2633440
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 8894328
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-pentan-2-yl]acetamide
CID 94177643
2-[3-amino-2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-(2-ethylbutyl)acetamide
CID 135186733
N-[2-[2-[[(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enyl]amino]ethyl-ethylamino]ethyl]-2,2,2-trifluoroacetamide
CID 146556939
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide
CID 2587473
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 2587480
N-(methylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2633439

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2079895) is N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)CCNC(=O)NC(=O)CN1C=C(C=CC1=O)C(F)(F)F.
What is the InChIKey of N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is UVZYENPPAIAGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-9(2)5-6-18-13(23)19-11(21)8-20-7-10(14(15,16)17)3-4-12(20)22/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,19,21,23).
What are the key properties of N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 333.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylcarbamoyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2079895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).